(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone

C15H19F2NO2 — CID 82822768

IUPAC(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C15H19F2NO2/c1-3-6-18-7-8-20-12(9-18)15(19)13-11(16)5-4-10(2)14(13)17/h4-5,12H,3,6-9H2,1-2H3
InChIKeyUVJBVCZKFOUFSQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone

(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 82822768) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
PubChem CID82822768
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C15H19F2NO2/c1-3-6-18-7-8-20-12(9-18)15(19)13-11(16)5-4-10(2)14(13)17/h4-5,12H,3,6-9H2,1-2H3
InChIKeyUVJBVCZKFOUFSQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
CID 114744266
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,6-difluoro-3-methylphenyl)methanone
CID 82822027
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanamine
CID 82822230
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone (CID 82822768) is (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2c(F)ccc(C)c2F)C1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is UVJBVCZKFOUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-3-6-18-7-8-20-12(9-18)15(19)13-11(16)5-4-10(2)14(13)17/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 283.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 82822768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).